N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C17H16BrN3O3S3 MolecularWeight: 486.42624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=CC=C4Br

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=CC=C4Br

InChI

InChI=1S/C17H16BrN3O3S3/c18-12-5-1-6-13-15(12)19-17(26-13)20-16(22)11-4-2-8-21(10-11)27(23,24)14-7-3-9-25-14/h1,3,5-7,9,11H,2,4,8,10H2,(H,19,20,22)